5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine

C12H18FN3 — CID 104606222

IUPAC5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCC1(C)C(CNc2ncc(F)cn2)C1(C)C
InChIInChI=1S/C12H18FN3/c1-11(2)9(12(11,3)4)7-16-10-14-5-8(13)6-15-10/h5-6,9H,7H2,1-4H3,(H,14,15,16)
InChIKeySJUMLEHLWJQBFO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.71
Rot. Bonds3

About 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine

5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine (PubChem CID 104606222) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine
PubChem CID104606222
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine
SMILESCC1(C)C(CNc2ncc(F)cn2)C1(C)C
InChIInChI=1S/C12H18FN3/c1-11(2)9(12(11,3)4)7-16-10-14-5-8(13)6-15-10/h5-6,9H,7H2,1-4H3,(H,14,15,16)
InChIKeySJUMLEHLWJQBFO-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine (CID 104606222) is 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine is CC1(C)C(CNc2ncc(F)cn2)C1(C)C.
What is the InChIKey of 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine?
The InChIKey is SJUMLEHLWJQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-11(2)9(12(11,3)4)7-16-10-14-5-8(13)6-15-10/h5-6,9H,7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 104606222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).